Geometry & MOs

Info

ID:	252997
PubChem CID:	103115361
Reduced:	SO3N4C12H16 (1)
Stoich.:	AB3C4D12E16 (1)
Weight, g/mol:	309.089561
ΔH_f, kcal/mol:	-69.85
Dipole, Da:	6.42
IP(EA), eV:	-9.64(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,4-dimethyl-1,3-thiazol-5-yl)-1-[1-(methylamino)-1-oxopropan-2-yl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC(CN1C(=C(N=N1)C(=O)O)C2=C(N=C(S2)C)C)O

DOS

IR

Vibrations